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Information thermodynamics for deterministic chemical reaction networks
Emanuele Penocchio1, Francesco Avanzini1, Massimiliano Esposito1
1Complex Systems and Statistical Mechanics, Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.
The Journal of Chemical Physics
|July 22, 2022
Summary
We extend information thermodynamics to deterministic chemical reactions, defining mutual information using concentrations. This allows new second laws for subnetworks, revealing how energy and information flows drive molecular machines.
Area of Science:
- Chemical Thermodynamics
- Information Theory
- Biophysics
Background:
- Information thermodynamics links mutual information changes to thermodynamics in stochastic systems.
- Deterministic chemical reaction networks are less explored within this framework.
- Understanding energy and information flow is crucial for molecular machines.
Purpose of the Study:
- To extend information thermodynamics to deterministic bipartite chemical reaction networks.
- To introduce a concentration-based measure of mutual information for molecular features.
- To formulate subnetwork-specific second laws analogous to stochastic systems.
Main Methods:
- Developed a novel definition of mutual information based on deterministic concentrations.
- Formulated separate second laws for coupled subnetworks in chemical reaction systems.
- Applied the framework to analyze self-assembly models and light-driven molecular motors.
Main Results:
- Established a theoretical framework for information thermodynamics in deterministic chemical networks.
- Demonstrated that analyzed systems comprise two coupled subnetworks.
- Identified one subnetwork as externally driven, powering the other via energy and information flows.
Conclusions:
- The new framework provides insights into energy and information exchanges in chemical systems.
- Clarified the role of information flow as a thermodynamic counterpart to information ratchets, specifically when energy flow is absent.
- The findings advance the understanding of molecular machines and non-equilibrium thermodynamics.
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